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Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'ellis' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50347563
PNG
(CHEMBL1801740)
Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human Angiotensin receptor 1


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50011771
PNG
(13-Methyl-10-thiiranyl-1,6,7,8,9,10,11,12,13,14,15...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CS3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O2S/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50011774
PNG
(13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CO3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20-/m0/s1
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7n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50406525
PNG
(CHEMBL2113272)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CS3)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C21H28O2S/c1-20-8-7-18-16(17(20)4-5-19(20)23)3-2-13-10-14(22)6-9-21(13,18)11-15-12-24-15/h10,15-18H,2-9,11-12H2,1H3/t15-,16-,17-,18-,20-,21+/m0/s1
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22n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50011775
PNG
(13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1
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75n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50011770
PNG
(13-Methyl-10-thiiranyl-1,6,7,8,9,10,11,12,13,14,15...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CS3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O2S/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1
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75n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50406524
PNG
(CHEMBL2113269)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CO3)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C21H28O3/c1-20-8-7-18-16(17(20)4-5-19(20)23)3-2-13-10-14(22)6-9-21(13,18)11-15-12-24-15/h10,15-18H,2-9,11-12H2,1H3/t15-,16-,17-,18-,20-,21+/m0/s1
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86n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50406523
PNG
(CHEMBL2113276)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CS3)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C21H28O2S/c1-20-8-7-18-16(17(20)4-5-19(20)23)3-2-13-10-14(22)6-9-21(13,18)11-15-12-24-15/h10,15-18H,2-9,11-12H2,1H3/t15-,16+,17+,18+,20+,21-/m1/s1
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206n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50406522
PNG
(CHEMBL2113268)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CO3)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C21H28O3/c1-20-8-7-18-16(17(20)4-5-19(20)23)3-2-13-10-14(22)6-9-21(13,18)11-15-12-24-15/h10,15-18H,2-9,11-12H2,1H3/t15-,16+,17+,18+,20+,21-/m1/s1
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753n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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4.50E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50347563
PNG
(CHEMBL1801740)
Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human Angiotensin receptor 2


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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1.54E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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1.59E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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2.00E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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6.33E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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6.76E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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6.99E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063001
PNG
(CHEMBL3398091)
Show SMILES Cn1c(=O)c(F)cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H17ClFN3O4/c1-24-19(27)15(22)11-25(20(24)28)10-13-6-2-5-9-17(13)29-12-18(26)23-16-8-4-3-7-14(16)21/h2-9,11H,10,12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063023
PNG
(CHEMBL3398090)
Show SMILES Cc1cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c(=O)n(C)c1=O
Show InChI InChI=1S/C21H20ClN3O4/c1-14-11-25(21(28)24(2)20(14)27)12-15-7-3-6-10-18(15)29-13-19(26)23-17-9-5-4-8-16(17)22/h3-11H,12-13H2,1-2H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063022
PNG
(CHEMBL3398089)
Show SMILES Clc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(CC=C)c1=O
Show InChI InChI=1S/C22H20ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h2-11,13H,1,12,14-15H2,(H,24,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063019
PNG
(CHEMBL3398087)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2N3O4/c1-24-19(27)8-9-25(20(24)28)11-13-4-2-3-5-17(13)29-12-18(26)23-16-10-14(21)6-7-15(16)22/h2-10H,11-12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063018
PNG
(CHEMBL3398086)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-4-2-3-5-17(14)28-13-18(25)22-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063017
PNG
(CHEMBL3398085)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)9-10-24(20(23)27)12-14-5-2-3-8-17(14)28-13-18(25)22-16-7-4-6-15(21)11-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063010
PNG
(CHEMBL3398082)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2)c1=O
Show InChI InChI=1S/C20H19N3O4/c1-22-19(25)11-12-23(20(22)26)13-15-7-5-6-10-17(15)27-14-18(24)21-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,24)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063014
PNG
(CHEMBL3398084)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-6-2-5-9-17(14)28-13-18(25)22-16-8-4-3-7-15(16)21/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063013
PNG
(CHEMBL3398083)
Show SMILES Cc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(C)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-15-7-3-5-9-17(15)22-19(25)14-28-18-10-6-4-8-16(18)13-24-12-11-20(26)23(2)21(24)27/h3-12H,13-14H2,1-2H3,(H,22,25)
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Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063003
PNG
(CHEMBL3398092)
Show SMILES Cn1c(=O)c(Cl)cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2N3O4/c1-24-19(27)15(22)11-25(20(24)28)10-13-6-2-5-9-17(13)29-12-18(26)23-16-8-4-3-7-14(16)21/h2-9,11H,10,12H2,1H3,(H,23,26)
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Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063020
PNG
(CHEMBL3398088)
Show SMILES CCCn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C22H22ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h3-11,13H,2,12,14-15H2,1H3,(H,24,27)
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Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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n/an/a 0.490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after


Bioorg Med Chem Lett 23: 767-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.088
BindingDB Entry DOI: 10.7270/Q2542PW7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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n/an/a 0.490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191587
PNG
(CHEMBL3968417)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191486
PNG
(CHEMBL3959248)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H33N7O3/c1-37(2)13-7-10-30(39)36-27-17-25-26(18-29(27)41-15-14-40-3)32-21-33-31(25)35-24-11-12-28-23(16-24)19-34-38(28)20-22-8-5-4-6-9-22/h4-12,16-19,21H,13-15,20H2,1-3H3,(H,36,39)(H,32,33,35)/b10-7+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50347563
PNG
(CHEMBL1801740)
Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50347563
PNG
(CHEMBL1801740)
Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after


Bioorg Med Chem Lett 23: 767-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.088
BindingDB Entry DOI: 10.7270/Q2542PW7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191488
PNG
(CHEMBL3930506)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H22ClFN6O/c23-17-11-15(6-7-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)5-4-10-30-8-2-1-3-9-30/h4-7,11-14H,1-3,8-10H2,(H,25,29,31)(H,26,27,28)/b5-4+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191668
PNG
(CHEMBL3950549)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C
Show InChI InChI=1S/C25H29ClFN5O2/c1-15(2)32(16(3)4)10-6-7-24(33)31-22-12-18-21(13-23(22)34-5)28-14-29-25(18)30-17-8-9-20(27)19(26)11-17/h6-9,11-16H,10H2,1-5H3,(H,31,33)(H,28,29,30)/b7-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191664
PNG
(CHEMBL3958006)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O2/c22-16-10-14(3-4-17(16)23)27-21-15-11-19(24-12-18(15)25-13-26-21)28-20(30)2-1-5-29-6-8-31-9-7-29/h1-4,10-13H,5-9H2,(H,24,28,30)(H,25,26,27)/b2-1+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191495
PNG
(CHEMBL3896779)
Show SMILES O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1
Show InChI InChI=1S/C27H26N6O2/c34-26(9-6-16-33-14-4-5-15-33)32-25-17-23-24(18-28-25)29-19-30-27(23)31-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,6-13,17-19H,4-5,14-16H2,(H,28,32,34)(H,29,30,31)/b9-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191640
PNG
(CHEMBL3930316)
Show SMILES CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
Show InChI InChI=1S/C18H16ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h4-9H,3H2,1-2H3,(H,24,25)(H,21,22,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50191587
PNG
(CHEMBL3968417)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191587
PNG
(CHEMBL3968417)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191489
PNG
(CHEMBL3942228)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C33H35N7O2/c1-2-42-31-20-28-27(19-29(31)38-32(41)12-9-17-39-15-7-4-8-16-39)33(35-23-34-28)37-26-13-14-30-25(18-26)21-36-40(30)22-24-10-5-3-6-11-24/h3,5-6,9-14,18-21,23H,2,4,7-8,15-17,22H2,1H3,(H,38,41)(H,34,35,37)/b12-9+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191654
PNG
(CHEMBL3932176)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H31N7O2/c1-4-39-28-17-25-24(16-26(28)35-29(38)11-8-14-36(2)3)30(32-20-31-25)34-23-12-13-27-22(15-23)18-33-37(27)19-21-9-6-5-7-10-21/h5-13,15-18,20H,4,14,19H2,1-3H3,(H,35,38)(H,31,32,34)/b11-8+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191661
PNG
(CHEMBL3890186)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C33H35N7O3/c1-42-16-17-43-31-20-28-27(19-29(31)38-32(41)10-7-15-39-13-5-6-14-39)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-40(30)22-24-8-3-2-4-9-24/h2-4,7-12,18-21,23H,5-6,13-17,22H2,1H3,(H,38,41)(H,34,35,37)/b10-7+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191481
PNG
(CHEMBL3948267)
Show SMILES O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1
Show InChI InChI=1S/C29H28N8O/c38-28(9-6-14-36-12-4-5-13-36)35-27-16-24-25(18-30-27)31-20-32-29(24)34-23-10-11-26-22(15-23)17-33-37(26)19-21-7-2-1-3-8-21/h1-3,6-11,15-18,20H,4-5,12-14,19H2,(H,30,35,38)(H,31,32,34)/b9-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191655
PNG
(CHEMBL3970330)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
Show InChI InChI=1S/C34H38N8O3/c1-40-13-15-41(16-14-40)12-6-9-33(43)39-30-20-28-29(21-32(30)45-18-17-44-2)35-24-36-34(28)38-27-10-11-31-26(19-27)22-37-42(31)23-25-7-4-3-5-8-25/h3-11,19-22,24H,12-18,23H2,1-2H3,(H,39,43)(H,35,36,38)/b9-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191646
PNG
(CHEMBL3923228)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C32H33N7O2/c1-2-41-30-19-27-26(18-28(30)37-31(40)11-8-16-38-14-6-7-15-38)32(34-22-33-27)36-25-12-13-29-24(17-25)20-35-39(29)21-23-9-4-3-5-10-23/h3-5,8-13,17-20,22H,2,6-7,14-16,21H2,1H3,(H,37,40)(H,33,34,36)/b11-8+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
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